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7-methyl-3-(morpholin-4-ylmethyl)-1,2-dihydroquinolin-2-one

ChemBase ID: 370214
Molecular Formular: C15H18N2O2
Molecular Mass: 258.31562
Monoisotopic Mass: 258.13682783
SMILES and InChIs

SMILES:
c1(c(=O)[nH]c2c(c1)ccc(c2)C)CN1CCOCC1
Canonical SMILES:
Cc1ccc2c(c1)[nH]c(=O)c(c2)CN1CCOCC1
InChI:
InChI=1S/C15H18N2O2/c1-11-2-3-12-9-13(15(18)16-14(12)8-11)10-17-4-6-19-7-5-17/h2-3,8-9H,4-7,10H2,1H3,(H,16,18)
InChIKey:
GRKKGRVWUBHKTR-UHFFFAOYSA-N

Cite this record

CBID:370214 http://www.chembase.cn/molecule-370214.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-3-(morpholin-4-ylmethyl)-1,2-dihydroquinolin-2-one
IUPAC Traditional name
7-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-2-one
Synonyms
7-methyl-3-(morpholin-4-ylmethyl)quinolin-2(1H)-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.559459  H Acceptors
H Donor LogD (pH = 5.5) 0.5737168 
LogD (pH = 7.4) 1.6501611  Log P 1.7155892 
Molar Refractivity 77.2535 cm3 Polarizability 28.610622 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.61  LOG S -2.46 
Polar Surface Area 45.33 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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